Z-Gly-Pro-Arg-MNA|Z-Gly-Pro-Arg-4-Methoxy-2-Naphthylamine|benzyl N-{2-[(2S)-2-{[(1S)-4-carbamimidamido-1-[(4-methoxynaphthalen-2-yl)carbamoyl]butyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}carbamate|be...

基本信息

化学结构

分子式

C₃₂H₃₉N₇O₆

分子量

617.69536

精确质量

617.296182

电荷

InChI

InChI=1S/C32H39N7O6/c1-44-27-18-23(17-22-11-5-6-12-24(22)27)37-29(41)25(13-7-15-35-31(33)34)38-30(42)26-14-8-16-39(26)28(40)19-36-32(43)45-20-21-9-3-2-4-10-21/h2-6,9-12,17-18,25-26H,7-8,13-16,19-20H2,1H3,(H,36,43)(H,37,41)(H,38,42)(H4,33,34,35)/t25-,26-/m0/s1

InChIKey

GRFKZYIOWWFSLU-UIOOFZCWSA-N

Canonic Smiles

COc1cc(NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)OCc2ccccc2)CCCNC(=N)N)cc2c1cccc2

Isomeric Smiles

COc1cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)OCc2ccccc2)cc2c1cccc2

计算属性

JChem

Acid pKa

12.331405

质子受体

质子供体